4-[(tert-Butoxycarbonyl)amino]-1-cubanecarboxylic Acid, >98.0%

Name: 4-[(tert-Butoxycarbonyl)amino]-1-cubanecarboxylic Acid
Brand: Chempure
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CAS Number

1000931-72-5

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About this item

IUPAC name	4-[(2-methylpropan-2-yl)oxycarbonylamino]cubane-1-carboxylic acid
inchi	InChI=1S/C14H17NO4/c1-12(2,3)19-11(18)15-14-7-4-8(14)6-9(14)5(7)13(4,6)10(16)17/h4-9H,1-3H3,(H,15,18)(H,16,17)
inchi key	RQTXWKKAUMSKQA-UHFFFAOYSA-N
molecular formula	C14H17NO4
synonyms	1000931-72-5 4-tert-Butoxycarbonylamino-cubane-1-carboxylic acid 8-{[(tert-butoxy)carbonyl]amino}cubane-1-carboxylic acid 4-[(2-methylpropan-2-yl)oxycarbonylamino]cubane-1-carboxylic acid 4-((tert-Butoxycarbonyl)amino)cubane-1-carboxylic acid

Computed Properties

Molecular Weight:	263.29 g/mol
XLogP3:	0.6
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	4
Exact Mass:	263.11575802 g/mol
Monoisotopic Mass:	263.11575802 g/mol
Topological Polar Surface Area:	75.6 Å²
Heavy Atom Count:	19
Formal Charge:	0
Complexity:	501
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (50%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (50%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AX0243

4-[(tert-Butoxycarbonyl)amino]-1-cubanecarboxylic Acid, >98.0%

Product No: AX0243

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Product No: AX0243

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?